(2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate

C107H147N21O30 — CID 157143335

IUPAC(2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate
SMILESCC(=O)NCCCC[C@@H](C(N)=O)N1CCCC1=O.CC(=O)c1ccc(C(=O)NCCCC[C@@H](C(N)=O)N2CCCC2=O)cc1.NC(=O)C(CCCCNC(=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1)N1CCCC1=O.NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)N1CCCC1=O.NCCCC[C@@H](C(N)=O)N1CCCC1=O.NCCCC[C@@H](C(N)=O)N1CCCC1=O.O=C(ON1C(=O)CCC1=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H26N4O7.C19H25N3O4.C18H25N3O4.C16H12N2O8.C12H21N3O3.2C10H19N3O2/c23-20(30)16(25-13-3-5-17(25)27)4-1-2-12-24-21(31)14-6-8-15(9-7-14)22(32)33-26-18(28)10-11-19(26)29;1-13(23)14-7-9-15(10-8-14)19(26)21-11-3-2-5-16(18(20)25)22-12-4-6-17(22)24;19-17(23)15(21-12-6-10-16(21)22)9-4-5-11-20-18(24)25-13-14-7-2-1-3-8-14;19-11-5-6-12(20)17(11)25-15(23)9-1-2-10(4-3-9)16(24)26-18-13(21)7-8-14(18)22;1-9(16)14-7-3-2-5-10(12(13)18)15-8-4-6-11(15)17;2*11-6-2-1-4-8(10(12)15)13-7-3-5-9(13)14/h6-9,16H,1-5,10-13H2,(H2,23,30)(H,24,31);7-10,16H,2-6,11-12H2,1H3,(H2,20,25)(H,21,26);1-3,7-8,15H,4-6,9-13H2,(H2,19,23)(H,20,24);1-4H,5-8H2;10H,2-8H2,1H3,(H2,13,18)(H,14,16);2*8H,1-7,11H2,(H2,12,15)/t;16-;15-;;10-;2*8-/m.00.000/s1
InChIKeyAKKUFORPCZBWHX-RCBBXLDYSA-N
MW2207.47 g/mol
LogP2.19
Rot. Bonds51

About (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate

(2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate (PubChem CID 157143335) has the molecular formula C107H147N21O30 and a molecular weight of 2207.47 g/mol. Its IUPAC name is (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate.

Molecular Properties

Compound Name(2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate
PubChem CID157143335
Molecular FormulaC107H147N21O30
Molecular Weight2207.47 g/mol
Exact Mass2206.06
IUPAC Name(2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate
SMILESCC(=O)NCCCC[C@@H](C(N)=O)N1CCCC1=O.CC(=O)c1ccc(C(=O)NCCCC[C@@H](C(N)=O)N2CCCC2=O)cc1.NC(=O)C(CCCCNC(=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1)N1CCCC1=O.NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)N1CCCC1=O.NCCCC[C@@H](C(N)=O)N1CCCC1=O.NCCCC[C@@H](C(N)=O)N1CCCC1=O.O=C(ON1C(=O)CCC1=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H26N4O7.C19H25N3O4.C18H25N3O4.C16H12N2O8.C12H21N3O3.2C10H19N3O2/c23-20(30)16(25-13-3-5-17(25)27)4-1-2-12-24-21(31)14-6-8-15(9-7-14)22(32)33-26-18(28)10-11-19(26)29;1-13(23)14-7-9-15(10-8-14)19(26)21-11-3-2-5-16(18(20)25)22-12-4-6-17(22)24;19-17(23)15(21-12-6-10-16(21)22)9-4-5-11-20-18(24)25-13-14-7-2-1-3-8-14;19-11-5-6-12(20)17(11)25-15(23)9-1-2-10(4-3-9)16(24)26-18-13(21)7-8-14(18)22;1-9(16)14-7-3-2-5-10(12(13)18)15-8-4-6-11(15)17;2*11-6-2-1-4-8(10(12)15)13-7-3-5-9(13)14/h6-9,16H,1-5,10-13H2,(H2,23,30)(H,24,31);7-10,16H,2-6,11-12H2,1H3,(H2,20,25)(H,21,26);1-3,7-8,15H,4-6,9-13H2,(H2,19,23)(H,20,24);1-4H,5-8H2;10H,2-8H2,1H3,(H2,13,18)(H,14,16);2*8H,1-7,11H2,(H2,12,15)/t;16-;15-;;10-;2*8-/m.00.000/s1
InChIKeyAKKUFORPCZBWHX-RCBBXLDYSA-N
XLogP2.19
TPSA766.18 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds51
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.47
LogP ≤ 52.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate with MolForge

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Related Compounds

tert-butyl 2-[4,7-bis[5-[[(2S)-1-[bis[3-(1,3-dioxoisoindol-2-yl)propyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-1,4,7-triazonan-1-yl]-5-[[(2S)-1-[bis[3-(1,3-dioxoisoindol-2-yl)propyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-5-oxopentanoate
CID 122605629
6-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-ethylhexanamide;7-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-N-propylheptanamide;N-ethoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;N-methoxy-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-2-carboxamide;1-[2-(4-methylphenyl)-2-oxoacetyl]-N-propoxypyrrolidine-2-carboxamide;3-[1-(2-oxo-3-phenylpropanoyl)pyrrolidin-2-yl]propanoic acid
CID 157052505
N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;(3R)-3-amino-1-methoxyazetidin-2-one;bis(benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate);(2S)-2-[[(2R)-4-[(2S)-1-[(2S)-2-[[4-(4-butylphenyl)benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidin-2-yl]-2-methyl-4-oxobutanoyl]amino]heptanoic acid
CID 157470061
methyl (1R,23S)-23-tert-butyl-18,18-dimethyl-3,12,21,24-tetraoxo-2,20-dioxa-4,13,22,25-tetrazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate;methyl (1R,23S)-23-tert-butyl-18,18-dimethyl-3,21,24-trioxo-2,13,20-trioxa-4,22,25-triazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate;methyl (1R,23S)-23-tert-butyl-3,12,21,24-tetraoxo-2,20-dioxa-4,13,22,25-tetrazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate;methyl (1R,23S)-23-tert-butyl-3,21,24-trioxo-2,13,20-trioxa-4,22,25-triazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate
CID 157511761
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[methyl-(4-phenylbenzoyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-[2-oxo-2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate;N-(1-cyanopyrrolidin-3-yl)-N-methyl-4-phenylbenzamide;N-methyl-4-phenyl-N-pyrrolidin-3-ylbenzamide;4-phenylbenzoic acid
CID 158090009
tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[methyl-(4-phenylbenzoyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-[2-oxo-2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate;N-(1-cyanopyrrolidin-3-yl)-N-methyl-4-phenylbenzamide;N-methyl-4-phenyl-N-pyrrolidin-3-ylbenzamide;4-phenylbenzoic acid
CID 158090011
[(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)
CID 158446917
N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium
CID 158491699
benzyl N-[(2S)-3-(2,2-dimethylpropanoylamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate;tert-butyl (3S)-2-methyl-4-[[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 158571547
(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[2-[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1S)-1-phenyl-2-phenylmethoxyethyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]cyclohexyl]-2-oxoethyl]-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[2-[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1S)-1-phenyl-2-phenylmethoxyethyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]-2-oxoethyl]-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]pyrrolidine-2-carboxamide
CID 160245602
tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[methyl-(4-phenylbenzoyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-[2-oxo-2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate;N-(1-cyanopyrrolidin-3-yl)-N-methyl-4-phenylbenzamide;methane;N-methyl-4-phenyl-N-pyrrolidin-3-ylbenzamide;4-phenylbenzoic acid
CID 160401298
1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 4-[[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[[4-[[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]methyl]benzoyl]amino]pentanoate;ethane;methanamine
CID 161210627

Frequently Asked Questions

What is the IUPAC name of (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate?
The IUPAC name of (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate (CID 157143335) is (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate.
What is the SMILES notation for (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate?
The canonical SMILES for (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate is CC(=O)NCCCC[C@@H](C(N)=O)N1CCCC1=O.CC(=O)c1ccc(C(=O)NCCCC[C@@H](C(N)=O)N2CCCC2=O)cc1.NC(=O)C(CCCCNC(=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1)N1CCCC1=O.NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)N1CCCC1=O.NCCCC[C@@H](C(N)=O)N1CCCC1=O.NCCCC[C@@H](C(N)=O)N1CCCC1=O.O=C(ON1C(=O)CCC1=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate?
The InChIKey is AKKUFORPCZBWHX-RCBBXLDYSA-N. The full InChI is InChI=1S/C22H26N4O7.C19H25N3O4.C18H25N3O4.C16H12N2O8.C12H21N3O3.2C10H19N3O2/c23-20(30)16(25-13-3-5-17(25)27)4-1-2-12-24-21(31)14-6-8-15(9-7-14)22(32)33-26-18(28)10-11-19(26)29;1-13(23)14-7-9-15(10-8-14)19(26)21-11-3-2-5-16(18(20)25)22-12-4-6-17(22)24;19-17(23)15(21-12-6-10-16(21)22)9-4-5-11-20-18(24)25-13-14-7-2-1-3-8-14;19-11-5-6-12(20)17(11)25-15(23)9-1-2-10(4-3-9)16(24)26-18-13(21)7-8-14(18)22;1-9(16)14-7-3-2-5-10(12(13)18)15-8-4-6-11(15)17;2*11-6-2-1-4-8(10(12)15)13-7-3-5-9(13)14/h6-9,16H,1-5,10-13H2,(H2,23,30)(H,24,31);7-10,16H,2-6,11-12H2,1H3,(H2,20,25)(H,21,26);1-3,7-8,15H,4-6,9-13H2,(H2,19,23)(H,20,24);1-4H,5-8H2;10H,2-8H2,1H3,(H2,13,18)(H,14,16);2*8H,1-7,11H2,(H2,12,15)/t;16-;15-;;10-;2*8-/m.00.000/s1.
What are the key properties of (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate?
(2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate has a molecular weight of 2207.47 g/mol, XLogP of 2.19, 51 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-acetamido-2-(2-oxopyrrolidin-1-yl)hexanamide;4-acetyl-N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]benzamide;bis((2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide);benzyl N-[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamate;bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[(5S)-6-amino-6-oxo-5-(2-oxopyrrolidin-1-yl)hexyl]carbamoyl]benzoate is sourced from PubChem (CID 157143335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).